(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide

C5H13IN4O — CID 130666176

IUPAC(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC/N=C(\N)N[C@H](C)C(N)=O.I
InChIInChI=1S/C5H12N4O.HI/c1-3(4(6)10)9-5(7)8-2;/h3H,1-2H3,(H2,6,10)(H3,7,8,9);1H/t3-;/m1./s1
InChIKeySTGFNCPMRWWXMC-AENDTGMFSA-N
MW272.09 g/mol
LogP-0.99
Rot. Bonds2

About (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide

(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide (PubChem CID 130666176) has the molecular formula C5H13IN4O and a molecular weight of 272.09 g/mol. Its IUPAC name is (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide.

Molecular Properties

Compound Name(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
PubChem CID130666176
Molecular FormulaC5H13IN4O
Molecular Weight272.09 g/mol
Exact Mass272.01
IUPAC Name(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC/N=C(\N)N[C@H](C)C(N)=O.I
InChIInChI=1S/C5H12N4O.HI/c1-3(4(6)10)9-5(7)8-2;/h3H,1-2H3,(H2,6,10)(H3,7,8,9);1H/t3-;/m1./s1
InChIKeySTGFNCPMRWWXMC-AENDTGMFSA-N
XLogP-0.99
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62360115
[(2R)-1-amino-1-oxopropan-2-yl]carbamic acid
CID 66814352
trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 127011730
(2R)-2-amino-N-(1-amino-1-oxopropan-2-yl)propanamide
CID 78972368
2-(propan-2-ylcarbamothioylamino)propanamide
CID 116507425
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
1-(1-hydroxypropan-2-yl)-2-methylguanidine
CID 62359529
2-(hydroxyamino)propanamide
CID 12611671
2-amino-N-[(2S)-1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 142153826
3-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-3-oxopropanoic acid
CID 114896888
2-(2-methoxypropanoylamino)propanamide
CID 115588153
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide?
The IUPAC name of (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide (CID 130666176) is (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide.
What is the SMILES notation for (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide?
The canonical SMILES for (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide is C/N=C(\N)N[C@H](C)C(N)=O.I.
What is the InChIKey of (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide?
The InChIKey is STGFNCPMRWWXMC-AENDTGMFSA-N. The full InChI is InChI=1S/C5H12N4O.HI/c1-3(4(6)10)9-5(7)8-2;/h3H,1-2H3,(H2,6,10)(H3,7,8,9);1H/t3-;/m1./s1.
What are the key properties of (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide?
(2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide has a molecular weight of 272.09 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(N'-methylcarbamimidoyl)amino]propanamide;hydroiodide is sourced from PubChem (CID 130666176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).